USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 49 THR OG1 : rot -140:sc=-0.00438 USER MOD Set 1.2: C 52 GLN : amide:sc= -0.0134 X(o=-0.018,f=0.42) USER MOD Set 2.1: C 33 GLN :FLIP amide:sc= -6.01! C(o=-14!,f=-8.6!) USER MOD Set 2.2: C 47 SER OG : rot -170:sc= -2.63! USER MOD Set 3.1: C 18 SER OG : rot -86:sc= 0.474 USER MOD Set 3.2: C 25 SER OG : rot 180:sc= 0.542 USER MOD Single : C 9 THR OG1 : rot 21:sc= 0.489 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 65:sc= 0.481 USER MOD Single : C 20 THR OG1 : rot 180:sc= 0 USER MOD Single : C 22 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 167:sc= -0.144 (180deg=-0.398) USER MOD Single : C 36 ASN :FLIP amide:sc= -1.5 F(o=-2.3,f=-1.5) USER MOD Single : C 37 ASN : amide:sc= -0.84 K(o=-0.84,f=-5.4!) USER MOD Single : C 38 THR OG1 : rot 47:sc= 0.733 USER MOD Single : C 46 HIS : no HE2:sc= -17.1! C(o=-17!,f=-23!) USER MOD Single : C 50 THR OG1 : rot 180:sc= 0.162 USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= -0.295 USER MOD Single : C 58 SER OG : rot 180:sc= -0.122 USER MOD Single : C 59 ASN :FLIP amide:sc= -0.294 F(o=-1.5,f=-0.29) USER MOD Single : C 60 TYR OH : rot -47:sc= 0.881 USER MOD Single : C 64 SER OG : rot 74:sc= -2.12! USER MOD Single : R 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.438 3.241 -25.269 1.00 0.00 N ATOM 2 CA THR C 9 4.067 3.678 -24.881 1.00 0.00 C ATOM 3 C THR C 9 3.522 2.747 -23.796 1.00 0.00 C ATOM 4 O THR C 9 2.662 1.925 -24.045 1.00 0.00 O ATOM 5 CB THR C 9 3.151 3.626 -26.106 1.00 0.00 C ATOM 6 OG1 THR C 9 3.864 4.079 -27.249 1.00 0.00 O ATOM 7 CG2 THR C 9 1.932 4.520 -25.875 1.00 0.00 C ATOM 0 HA THR C 9 4.105 4.698 -24.498 1.00 0.00 H new ATOM 0 HB THR C 9 2.819 2.600 -26.267 1.00 0.00 H new ATOM 0 HG1 THR C 9 4.827 3.997 -27.088 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.281 4.481 -26.749 1.00 0.00 H new ATOM 0 HG22 THR C 9 1.385 4.170 -24.999 1.00 0.00 H new ATOM 0 HG23 THR C 9 2.259 5.547 -25.712 1.00 0.00 H new ATOM 14 N PHE C 10 4.014 2.867 -22.593 1.00 0.00 N ATOM 15 CA PHE C 10 3.522 1.987 -21.495 1.00 0.00 C ATOM 16 C PHE C 10 2.193 2.533 -20.966 1.00 0.00 C ATOM 17 O PHE C 10 1.716 3.562 -21.402 1.00 0.00 O ATOM 18 CB PHE C 10 4.550 1.958 -20.361 1.00 0.00 C ATOM 19 CG PHE C 10 5.660 0.958 -20.701 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.121 0.838 -21.999 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.216 0.164 -19.713 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.120 -0.064 -22.305 1.00 0.00 C ATOM 23 CE2 PHE C 10 7.216 -0.736 -20.020 1.00 0.00 C ATOM 24 CZ PHE C 10 7.667 -0.850 -21.316 1.00 0.00 C ATOM 0 H PHE C 10 4.735 3.536 -22.323 1.00 0.00 H new ATOM 0 HA PHE C 10 3.377 0.976 -21.876 1.00 0.00 H new ATOM 0 HB2 PHE C 10 4.974 2.952 -20.215 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.067 1.677 -19.425 1.00 0.00 H new ATOM 0 HD1 PHE C 10 5.697 1.454 -22.778 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.865 0.249 -18.695 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.473 -0.153 -23.322 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.645 -1.351 -19.243 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.449 -1.555 -21.556 1.00 0.00 H new ATOM 34 N VAL C 11 1.591 1.853 -20.028 1.00 0.00 N ATOM 35 CA VAL C 11 0.293 2.334 -19.473 1.00 0.00 C ATOM 36 C VAL C 11 0.349 2.312 -17.944 1.00 0.00 C ATOM 37 O VAL C 11 1.003 1.479 -17.349 1.00 0.00 O ATOM 38 CB VAL C 11 -0.836 1.419 -19.953 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.170 1.911 -19.388 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.893 1.437 -21.482 1.00 0.00 C ATOM 0 H VAL C 11 1.942 0.985 -19.622 1.00 0.00 H new ATOM 0 HA VAL C 11 0.109 3.353 -19.815 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.649 0.402 -19.608 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -2.973 1.258 -19.731 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.131 1.897 -18.299 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.358 2.928 -19.732 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.697 0.785 -21.824 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -1.079 2.454 -21.827 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.056 1.084 -21.886 1.00 0.00 H new ATOM 50 N ALA C 12 -0.331 3.224 -17.302 1.00 0.00 N ATOM 51 CA ALA C 12 -0.314 3.252 -15.813 1.00 0.00 C ATOM 52 C ALA C 12 -1.253 2.172 -15.271 1.00 0.00 C ATOM 53 O ALA C 12 -2.429 2.404 -15.069 1.00 0.00 O ATOM 54 CB ALA C 12 -0.778 4.625 -15.322 1.00 0.00 C ATOM 0 H ALA C 12 -0.896 3.949 -17.744 1.00 0.00 H new ATOM 0 HA ALA C 12 0.699 3.063 -15.459 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.765 4.645 -14.232 1.00 0.00 H new ATOM 0 HB2 ALA C 12 -0.109 5.394 -15.707 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.791 4.815 -15.677 1.00 0.00 H new ATOM 60 N LEU C 13 -0.742 0.993 -15.037 1.00 0.00 N ATOM 61 CA LEU C 13 -1.598 -0.106 -14.508 1.00 0.00 C ATOM 62 C LEU C 13 -2.525 0.440 -13.423 1.00 0.00 C ATOM 63 O LEU C 13 -3.692 0.110 -13.369 1.00 0.00 O ATOM 64 CB LEU C 13 -0.712 -1.201 -13.907 1.00 0.00 C ATOM 65 CG LEU C 13 0.246 -1.729 -14.976 1.00 0.00 C ATOM 66 CD1 LEU C 13 1.001 -2.942 -14.428 1.00 0.00 C ATOM 67 CD2 LEU C 13 -0.549 -2.142 -16.216 1.00 0.00 C ATOM 0 H LEU C 13 0.235 0.744 -15.190 1.00 0.00 H new ATOM 0 HA LEU C 13 -2.193 -0.520 -15.322 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -0.148 -0.804 -13.063 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -1.330 -2.014 -13.524 1.00 0.00 H new ATOM 0 HG LEU C 13 0.957 -0.948 -15.244 1.00 0.00 H new ATOM 0 HD11 LEU C 13 1.684 -3.319 -15.189 1.00 0.00 H new ATOM 0 HD12 LEU C 13 1.568 -2.649 -13.544 1.00 0.00 H new ATOM 0 HD13 LEU C 13 0.289 -3.723 -14.160 1.00 0.00 H new ATOM 0 HD21 LEU C 13 0.134 -2.518 -16.978 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -1.260 -2.923 -15.949 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -1.088 -1.279 -16.607 1.00 0.00 H new ATOM 79 N TYR C 14 -2.018 1.276 -12.558 1.00 0.00 N ATOM 80 CA TYR C 14 -2.887 1.835 -11.482 1.00 0.00 C ATOM 81 C TYR C 14 -2.441 3.256 -11.134 1.00 0.00 C ATOM 82 O TYR C 14 -1.407 3.720 -11.571 1.00 0.00 O ATOM 83 CB TYR C 14 -2.783 0.953 -10.236 1.00 0.00 C ATOM 84 CG TYR C 14 -2.576 -0.503 -10.657 1.00 0.00 C ATOM 85 CD1 TYR C 14 -3.625 -1.242 -11.164 1.00 0.00 C ATOM 86 CD2 TYR C 14 -1.337 -1.097 -10.535 1.00 0.00 C ATOM 87 CE1 TYR C 14 -3.437 -2.555 -11.545 1.00 0.00 C ATOM 88 CE2 TYR C 14 -1.149 -2.410 -10.915 1.00 0.00 C ATOM 89 CZ TYR C 14 -2.197 -3.149 -11.423 1.00 0.00 C ATOM 90 OH TYR C 14 -2.010 -4.462 -11.804 1.00 0.00 O ATOM 0 H TYR C 14 -1.049 1.594 -12.549 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.919 1.859 -11.833 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -1.953 1.284 -9.612 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -3.689 1.044 -9.636 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -4.601 -0.790 -11.263 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -0.508 -0.530 -10.139 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -4.266 -3.122 -11.942 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -0.174 -2.863 -10.814 1.00 0.00 H new ATOM 0 HH TYR C 14 -1.076 -4.717 -11.651 1.00 0.00 H new ATOM 100 N ASP C 15 -3.218 3.949 -10.346 1.00 0.00 N ATOM 101 CA ASP C 15 -2.846 5.340 -9.964 1.00 0.00 C ATOM 102 C ASP C 15 -1.576 5.307 -9.114 1.00 0.00 C ATOM 103 O ASP C 15 -1.562 4.775 -8.023 1.00 0.00 O ATOM 104 CB ASP C 15 -3.985 5.969 -9.158 1.00 0.00 C ATOM 105 CG ASP C 15 -4.045 7.470 -9.447 1.00 0.00 C ATOM 106 OD1 ASP C 15 -3.258 8.198 -8.865 1.00 0.00 O ATOM 107 OD2 ASP C 15 -4.878 7.865 -10.245 1.00 0.00 O ATOM 0 H ASP C 15 -4.095 3.611 -9.950 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.669 5.932 -10.862 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.933 5.499 -9.420 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -3.828 5.799 -8.093 1.00 0.00 H new ATOM 112 N TYR C 16 -0.510 5.872 -9.607 1.00 0.00 N ATOM 113 CA TYR C 16 0.760 5.874 -8.828 1.00 0.00 C ATOM 114 C TYR C 16 0.834 7.144 -7.980 1.00 0.00 C ATOM 115 O TYR C 16 0.876 8.244 -8.495 1.00 0.00 O ATOM 116 CB TYR C 16 1.942 5.824 -9.801 1.00 0.00 C ATOM 117 CG TYR C 16 3.230 6.229 -9.081 1.00 0.00 C ATOM 118 CD1 TYR C 16 3.465 5.827 -7.783 1.00 0.00 C ATOM 119 CD2 TYR C 16 4.176 6.999 -9.726 1.00 0.00 C ATOM 120 CE1 TYR C 16 4.629 6.191 -7.138 1.00 0.00 C ATOM 121 CE2 TYR C 16 5.340 7.363 -9.082 1.00 0.00 C ATOM 122 CZ TYR C 16 5.576 6.961 -7.783 1.00 0.00 C ATOM 123 OH TYR C 16 6.740 7.324 -7.138 1.00 0.00 O ATOM 0 H TYR C 16 -0.463 6.333 -10.516 1.00 0.00 H new ATOM 0 HA TYR C 16 0.795 5.006 -8.170 1.00 0.00 H new ATOM 0 HB2 TYR C 16 2.045 4.819 -10.210 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.760 6.493 -10.642 1.00 0.00 H new ATOM 0 HD1 TYR C 16 2.733 5.223 -7.268 1.00 0.00 H new ATOM 0 HD2 TYR C 16 4.004 7.319 -10.743 1.00 0.00 H new ATOM 0 HE1 TYR C 16 4.801 5.871 -6.121 1.00 0.00 H new ATOM 0 HE2 TYR C 16 6.072 7.967 -9.598 1.00 0.00 H new ATOM 0 HH TYR C 16 7.274 6.524 -6.951 1.00 0.00 H new ATOM 133 N GLU C 17 0.850 6.998 -6.682 1.00 0.00 N ATOM 134 CA GLU C 17 0.922 8.193 -5.795 1.00 0.00 C ATOM 135 C GLU C 17 2.338 8.329 -5.230 1.00 0.00 C ATOM 136 O GLU C 17 2.614 7.923 -4.118 1.00 0.00 O ATOM 137 CB GLU C 17 -0.071 8.031 -4.643 1.00 0.00 C ATOM 138 CG GLU C 17 -0.369 9.401 -4.029 1.00 0.00 C ATOM 139 CD GLU C 17 -0.162 9.336 -2.514 1.00 0.00 C ATOM 140 OE1 GLU C 17 -1.065 8.885 -1.831 1.00 0.00 O ATOM 141 OE2 GLU C 17 0.898 9.740 -2.064 1.00 0.00 O ATOM 0 H GLU C 17 0.816 6.101 -6.198 1.00 0.00 H new ATOM 0 HA GLU C 17 0.674 9.086 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -0.992 7.575 -5.005 1.00 0.00 H new ATOM 0 HB3 GLU C 17 0.340 7.363 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU C 17 0.285 10.157 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -1.393 9.698 -4.255 1.00 0.00 H new ATOM 148 N SER C 18 3.237 8.897 -5.986 1.00 0.00 N ATOM 149 CA SER C 18 4.631 9.060 -5.495 1.00 0.00 C ATOM 150 C SER C 18 4.611 9.539 -4.042 1.00 0.00 C ATOM 151 O SER C 18 3.594 9.961 -3.531 1.00 0.00 O ATOM 152 CB SER C 18 5.352 10.091 -6.362 1.00 0.00 C ATOM 153 OG SER C 18 5.034 11.399 -5.909 1.00 0.00 O ATOM 0 H SER C 18 3.064 9.256 -6.925 1.00 0.00 H new ATOM 0 HA SER C 18 5.152 8.104 -5.552 1.00 0.00 H new ATOM 0 HB2 SER C 18 6.429 9.931 -6.316 1.00 0.00 H new ATOM 0 HB3 SER C 18 5.057 9.974 -7.405 1.00 0.00 H new ATOM 0 HG SER C 18 4.199 11.696 -6.328 1.00 0.00 H new ATOM 159 N ARG C 19 5.731 9.477 -3.373 1.00 0.00 N ATOM 160 CA ARG C 19 5.777 9.929 -1.954 1.00 0.00 C ATOM 161 C ARG C 19 6.551 11.245 -1.866 1.00 0.00 C ATOM 162 O ARG C 19 6.294 12.073 -1.015 1.00 0.00 O ATOM 163 CB ARG C 19 6.476 8.866 -1.105 1.00 0.00 C ATOM 164 CG ARG C 19 5.523 7.691 -0.877 1.00 0.00 C ATOM 165 CD ARG C 19 5.111 7.647 0.595 1.00 0.00 C ATOM 166 NE ARG C 19 6.212 7.048 1.401 1.00 0.00 N ATOM 167 CZ ARG C 19 5.984 6.636 2.620 1.00 0.00 C ATOM 168 NH1 ARG C 19 4.791 6.746 3.138 1.00 0.00 N ATOM 169 NH2 ARG C 19 6.953 6.112 3.320 1.00 0.00 N ATOM 0 H ARG C 19 6.615 9.133 -3.748 1.00 0.00 H new ATOM 0 HA ARG C 19 4.763 10.079 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG C 19 7.381 8.523 -1.605 1.00 0.00 H new ATOM 0 HB3 ARG C 19 6.782 9.291 -0.149 1.00 0.00 H new ATOM 0 HG2 ARG C 19 4.641 7.796 -1.509 1.00 0.00 H new ATOM 0 HG3 ARG C 19 6.008 6.756 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG C 19 4.890 8.653 0.952 1.00 0.00 H new ATOM 0 HD3 ARG C 19 4.200 7.060 0.711 1.00 0.00 H new ATOM 0 HE ARG C 19 7.146 6.959 1.000 1.00 0.00 H new ATOM 0 HH11 ARG C 19 4.033 7.155 2.591 1.00 0.00 H new ATOM 0 HH12 ARG C 19 4.617 6.423 4.090 1.00 0.00 H new ATOM 0 HH21 ARG C 19 7.885 6.025 2.915 1.00 0.00 H new ATOM 0 HH22 ARG C 19 6.778 5.790 4.272 1.00 0.00 H new ATOM 183 N THR C 20 7.497 11.443 -2.741 1.00 0.00 N ATOM 184 CA THR C 20 8.290 12.704 -2.711 1.00 0.00 C ATOM 185 C THR C 20 7.979 13.533 -3.961 1.00 0.00 C ATOM 186 O THR C 20 7.104 13.202 -4.736 1.00 0.00 O ATOM 187 CB THR C 20 9.783 12.367 -2.680 1.00 0.00 C ATOM 188 OG1 THR C 20 9.947 10.957 -2.721 1.00 0.00 O ATOM 189 CG2 THR C 20 10.408 12.920 -1.398 1.00 0.00 C ATOM 0 H THR C 20 7.756 10.785 -3.477 1.00 0.00 H new ATOM 0 HA THR C 20 8.028 13.277 -1.821 1.00 0.00 H new ATOM 0 HB THR C 20 10.276 12.816 -3.542 1.00 0.00 H new ATOM 0 HG1 THR C 20 10.902 10.738 -2.703 1.00 0.00 H new ATOM 0 HG21 THR C 20 11.471 12.679 -1.378 1.00 0.00 H new ATOM 0 HG22 THR C 20 10.281 14.002 -1.369 1.00 0.00 H new ATOM 0 HG23 THR C 20 9.918 12.473 -0.533 1.00 0.00 H new ATOM 197 N GLU C 21 8.690 14.609 -4.162 1.00 0.00 N ATOM 198 CA GLU C 21 8.436 15.459 -5.360 1.00 0.00 C ATOM 199 C GLU C 21 9.307 14.981 -6.524 1.00 0.00 C ATOM 200 O GLU C 21 9.254 15.518 -7.613 1.00 0.00 O ATOM 201 CB GLU C 21 8.780 16.914 -5.026 1.00 0.00 C ATOM 202 CG GLU C 21 8.820 17.742 -6.313 1.00 0.00 C ATOM 203 CD GLU C 21 8.933 19.226 -5.957 1.00 0.00 C ATOM 204 OE1 GLU C 21 9.978 19.619 -5.462 1.00 0.00 O ATOM 205 OE2 GLU C 21 7.974 19.944 -6.184 1.00 0.00 O ATOM 0 H GLU C 21 9.436 14.936 -3.548 1.00 0.00 H new ATOM 0 HA GLU C 21 7.386 15.386 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU C 21 8.039 17.325 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU C 21 9.744 16.963 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU C 21 9.667 17.438 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU C 21 7.919 17.565 -6.901 1.00 0.00 H new ATOM 212 N THR C 22 10.106 13.971 -6.308 1.00 0.00 N ATOM 213 CA THR C 22 10.978 13.461 -7.404 1.00 0.00 C ATOM 214 C THR C 22 10.118 12.816 -8.494 1.00 0.00 C ATOM 215 O THR C 22 10.328 13.032 -9.671 1.00 0.00 O ATOM 216 CB THR C 22 11.950 12.422 -6.840 1.00 0.00 C ATOM 217 OG1 THR C 22 11.979 12.524 -5.423 1.00 0.00 O ATOM 218 CG2 THR C 22 13.352 12.674 -7.400 1.00 0.00 C ATOM 0 H THR C 22 10.192 13.477 -5.420 1.00 0.00 H new ATOM 0 HA THR C 22 11.539 14.291 -7.833 1.00 0.00 H new ATOM 0 HB THR C 22 11.621 11.423 -7.127 1.00 0.00 H new ATOM 0 HG1 THR C 22 12.600 11.858 -5.060 1.00 0.00 H new ATOM 0 HG21 THR C 22 14.043 11.933 -6.998 1.00 0.00 H new ATOM 0 HG22 THR C 22 13.329 12.596 -8.487 1.00 0.00 H new ATOM 0 HG23 THR C 22 13.684 13.672 -7.115 1.00 0.00 H new ATOM 226 N ASP C 23 9.151 12.025 -8.113 1.00 0.00 N ATOM 227 CA ASP C 23 8.282 11.369 -9.131 1.00 0.00 C ATOM 228 C ASP C 23 6.967 12.140 -9.251 1.00 0.00 C ATOM 229 O ASP C 23 6.357 12.504 -8.264 1.00 0.00 O ATOM 230 CB ASP C 23 7.988 9.930 -8.701 1.00 0.00 C ATOM 231 CG ASP C 23 9.222 9.338 -8.015 1.00 0.00 C ATOM 232 OD1 ASP C 23 9.615 9.865 -6.988 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.753 8.367 -8.529 1.00 0.00 O ATOM 0 H ASP C 23 8.926 11.805 -7.143 1.00 0.00 H new ATOM 0 HA ASP C 23 8.792 11.365 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.136 9.910 -8.021 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.718 9.328 -9.569 1.00 0.00 H new ATOM 238 N LEU C 24 6.522 12.391 -10.451 1.00 0.00 N ATOM 239 CA LEU C 24 5.245 13.139 -10.628 1.00 0.00 C ATOM 240 C LEU C 24 4.095 12.139 -10.700 1.00 0.00 C ATOM 241 O LEU C 24 3.624 11.790 -11.764 1.00 0.00 O ATOM 242 CB LEU C 24 5.290 13.977 -11.908 1.00 0.00 C ATOM 243 CG LEU C 24 6.741 14.316 -12.245 1.00 0.00 C ATOM 244 CD1 LEU C 24 6.781 15.419 -13.305 1.00 0.00 C ATOM 245 CD2 LEU C 24 7.469 14.806 -10.994 1.00 0.00 C ATOM 0 H LEU C 24 6.986 12.111 -11.315 1.00 0.00 H new ATOM 0 HA LEU C 24 5.099 13.812 -9.783 1.00 0.00 H new ATOM 0 HB2 LEU C 24 4.833 13.428 -12.731 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.713 14.892 -11.777 1.00 0.00 H new ATOM 0 HG LEU C 24 7.231 13.419 -12.624 1.00 0.00 H new ATOM 0 HD11 LEU C 24 7.818 15.658 -13.543 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.272 15.076 -14.206 1.00 0.00 H new ATOM 0 HD13 LEU C 24 6.282 16.309 -12.923 1.00 0.00 H new ATOM 0 HD21 LEU C 24 8.503 15.045 -11.245 1.00 0.00 H new ATOM 0 HD22 LEU C 24 6.973 15.698 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU C 24 7.451 14.025 -10.234 1.00 0.00 H new ATOM 257 N SER C 25 3.673 11.675 -9.558 1.00 0.00 N ATOM 258 CA SER C 25 2.552 10.684 -9.466 1.00 0.00 C ATOM 259 C SER C 25 1.626 10.776 -10.682 1.00 0.00 C ATOM 260 O SER C 25 1.362 11.844 -11.197 1.00 0.00 O ATOM 261 CB SER C 25 1.738 10.974 -8.204 1.00 0.00 C ATOM 262 OG SER C 25 2.467 11.853 -7.360 1.00 0.00 O ATOM 0 H SER C 25 4.066 11.946 -8.657 1.00 0.00 H new ATOM 0 HA SER C 25 2.980 9.682 -9.433 1.00 0.00 H new ATOM 0 HB2 SER C 25 0.780 11.421 -8.471 1.00 0.00 H new ATOM 0 HB3 SER C 25 1.520 10.045 -7.678 1.00 0.00 H new ATOM 0 HG SER C 25 1.944 12.040 -6.552 1.00 0.00 H new ATOM 268 N PHE C 26 1.130 9.658 -11.141 1.00 0.00 N ATOM 269 CA PHE C 26 0.221 9.675 -12.321 1.00 0.00 C ATOM 270 C PHE C 26 -1.069 8.931 -11.981 1.00 0.00 C ATOM 271 O PHE C 26 -1.254 8.459 -10.877 1.00 0.00 O ATOM 272 CB PHE C 26 0.893 8.999 -13.520 1.00 0.00 C ATOM 273 CG PHE C 26 1.413 7.617 -13.128 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.533 6.564 -12.978 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.764 7.396 -12.947 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.998 5.304 -12.653 1.00 0.00 C ATOM 277 CE2 PHE C 26 3.228 6.137 -12.625 1.00 0.00 C ATOM 278 CZ PHE C 26 2.346 5.092 -12.478 1.00 0.00 C ATOM 0 H PHE C 26 1.316 8.735 -10.749 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.004 10.710 -12.577 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.181 8.908 -14.340 1.00 0.00 H new ATOM 0 HB3 PHE C 26 1.716 9.616 -13.879 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.526 6.726 -13.116 1.00 0.00 H new ATOM 0 HD2 PHE C 26 3.461 8.213 -13.058 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.303 4.486 -12.536 1.00 0.00 H new ATOM 0 HE2 PHE C 26 4.286 5.972 -12.488 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.711 4.107 -12.226 1.00 0.00 H new ATOM 288 N LYS C 27 -1.961 8.820 -12.925 1.00 0.00 N ATOM 289 CA LYS C 27 -3.241 8.107 -12.661 1.00 0.00 C ATOM 290 C LYS C 27 -3.337 6.880 -13.569 1.00 0.00 C ATOM 291 O LYS C 27 -2.451 6.608 -14.356 1.00 0.00 O ATOM 292 CB LYS C 27 -4.417 9.045 -12.944 1.00 0.00 C ATOM 293 CG LYS C 27 -4.024 10.479 -12.583 1.00 0.00 C ATOM 294 CD LYS C 27 -5.137 11.436 -13.013 1.00 0.00 C ATOM 295 CE LYS C 27 -5.123 11.586 -14.536 1.00 0.00 C ATOM 296 NZ LYS C 27 -6.113 12.622 -14.942 1.00 0.00 N ATOM 0 H LYS C 27 -1.859 9.193 -13.869 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.272 7.791 -11.618 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.697 8.987 -13.996 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.288 8.739 -12.365 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -3.853 10.561 -11.510 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -3.089 10.746 -13.076 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -6.104 11.057 -12.683 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -4.998 12.408 -12.540 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -4.126 11.868 -14.875 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -5.363 10.633 -15.008 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -6.104 12.724 -15.977 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -7.063 12.335 -14.631 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -5.864 13.531 -14.502 1.00 0.00 H new ATOM 310 N LYS C 28 -4.404 6.137 -13.469 1.00 0.00 N ATOM 311 CA LYS C 28 -4.553 4.929 -14.327 1.00 0.00 C ATOM 312 C LYS C 28 -5.215 5.322 -15.650 1.00 0.00 C ATOM 313 O LYS C 28 -6.033 6.218 -15.704 1.00 0.00 O ATOM 314 CB LYS C 28 -5.425 3.898 -13.607 1.00 0.00 C ATOM 315 CG LYS C 28 -5.665 2.701 -14.530 1.00 0.00 C ATOM 316 CD LYS C 28 -6.931 2.940 -15.353 1.00 0.00 C ATOM 317 CE LYS C 28 -8.107 2.209 -14.702 1.00 0.00 C ATOM 318 NZ LYS C 28 -8.576 2.980 -13.517 1.00 0.00 N ATOM 0 H LYS C 28 -5.179 6.314 -12.830 1.00 0.00 H new ATOM 0 HA LYS C 28 -3.571 4.500 -14.525 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.937 3.571 -12.689 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -6.376 4.347 -13.320 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -4.810 2.560 -15.191 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.767 1.789 -13.942 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -7.142 4.008 -15.415 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -6.787 2.584 -16.373 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -8.920 2.094 -15.419 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -7.804 1.206 -14.400 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -9.498 2.613 -13.207 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -7.887 2.883 -12.744 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -8.671 3.984 -13.771 1.00 0.00 H new ATOM 332 N GLY C 29 -4.867 4.657 -16.718 1.00 0.00 N ATOM 333 CA GLY C 29 -5.476 4.992 -18.037 1.00 0.00 C ATOM 334 C GLY C 29 -4.573 5.980 -18.779 1.00 0.00 C ATOM 335 O GLY C 29 -4.636 6.105 -19.986 1.00 0.00 O ATOM 0 H GLY C 29 -4.188 3.896 -16.734 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.607 4.087 -18.630 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.466 5.425 -17.893 1.00 0.00 H new ATOM 339 N GLU C 30 -3.734 6.682 -18.068 1.00 0.00 N ATOM 340 CA GLU C 30 -2.830 7.661 -18.737 1.00 0.00 C ATOM 341 C GLU C 30 -1.647 6.918 -19.360 1.00 0.00 C ATOM 342 O GLU C 30 -1.202 5.905 -18.857 1.00 0.00 O ATOM 343 CB GLU C 30 -2.315 8.668 -17.707 1.00 0.00 C ATOM 344 CG GLU C 30 -1.512 9.760 -18.420 1.00 0.00 C ATOM 345 CD GLU C 30 -0.695 10.546 -17.392 1.00 0.00 C ATOM 346 OE1 GLU C 30 -0.001 9.916 -16.610 1.00 0.00 O ATOM 347 OE2 GLU C 30 -0.777 11.763 -17.404 1.00 0.00 O ATOM 0 H GLU C 30 -3.635 6.621 -17.055 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.379 8.189 -19.516 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -3.151 9.111 -17.166 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.690 8.164 -16.970 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.850 9.314 -19.162 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -2.185 10.430 -18.955 1.00 0.00 H new ATOM 354 N ARG C 31 -1.134 7.413 -20.454 1.00 0.00 N ATOM 355 CA ARG C 31 0.020 6.735 -21.108 1.00 0.00 C ATOM 356 C ARG C 31 1.323 7.399 -20.659 1.00 0.00 C ATOM 357 O ARG C 31 1.390 8.599 -20.482 1.00 0.00 O ATOM 358 CB ARG C 31 -0.116 6.853 -22.628 1.00 0.00 C ATOM 359 CG ARG C 31 -1.542 6.486 -23.044 1.00 0.00 C ATOM 360 CD ARG C 31 -1.985 7.387 -24.198 1.00 0.00 C ATOM 361 NE ARG C 31 -1.873 8.815 -23.786 1.00 0.00 N ATOM 362 CZ ARG C 31 -2.027 9.766 -24.668 1.00 0.00 C ATOM 363 NH1 ARG C 31 -2.279 9.471 -25.915 1.00 0.00 N ATOM 364 NH2 ARG C 31 -1.928 11.015 -24.303 1.00 0.00 N ATOM 0 H ARG C 31 -1.464 8.257 -20.922 1.00 0.00 H new ATOM 0 HA ARG C 31 0.033 5.683 -20.824 1.00 0.00 H new ATOM 0 HB2 ARG C 31 0.117 7.869 -22.947 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.599 6.193 -23.120 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -1.586 5.440 -23.348 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.220 6.601 -22.198 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -1.367 7.201 -25.076 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -3.013 7.158 -24.478 1.00 0.00 H new ATOM 0 HE ARG C 31 -1.676 9.050 -22.813 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -2.356 8.495 -26.203 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.399 10.216 -26.601 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -1.731 11.248 -23.330 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -2.048 11.758 -24.991 1.00 0.00 H new ATOM 378 N LEU C 32 2.360 6.628 -20.471 1.00 0.00 N ATOM 379 CA LEU C 32 3.658 7.217 -20.033 1.00 0.00 C ATOM 380 C LEU C 32 4.742 6.883 -21.062 1.00 0.00 C ATOM 381 O LEU C 32 4.581 6.001 -21.881 1.00 0.00 O ATOM 382 CB LEU C 32 4.048 6.635 -18.673 1.00 0.00 C ATOM 383 CG LEU C 32 3.565 7.569 -17.562 1.00 0.00 C ATOM 384 CD1 LEU C 32 3.093 6.738 -16.366 1.00 0.00 C ATOM 385 CD2 LEU C 32 4.714 8.483 -17.129 1.00 0.00 C ATOM 0 H LEU C 32 2.364 5.616 -20.602 1.00 0.00 H new ATOM 0 HA LEU C 32 3.557 8.299 -19.950 1.00 0.00 H new ATOM 0 HB2 LEU C 32 3.607 5.646 -18.549 1.00 0.00 H new ATOM 0 HB3 LEU C 32 5.129 6.512 -18.615 1.00 0.00 H new ATOM 0 HG LEU C 32 2.738 8.176 -17.931 1.00 0.00 H new ATOM 0 HD11 LEU C 32 2.749 7.403 -15.574 1.00 0.00 H new ATOM 0 HD12 LEU C 32 2.275 6.088 -16.675 1.00 0.00 H new ATOM 0 HD13 LEU C 32 3.919 6.131 -15.996 1.00 0.00 H new ATOM 0 HD21 LEU C 32 4.371 9.149 -16.337 1.00 0.00 H new ATOM 0 HD22 LEU C 32 5.542 7.877 -16.760 1.00 0.00 H new ATOM 0 HD23 LEU C 32 5.049 9.075 -17.981 1.00 0.00 H new ATOM 397 N GLN C 33 5.845 7.582 -21.026 1.00 0.00 N ATOM 398 CA GLN C 33 6.936 7.291 -22.014 1.00 0.00 C ATOM 399 C GLN C 33 8.131 6.667 -21.297 1.00 0.00 C ATOM 400 O GLN C 33 9.076 7.345 -20.952 1.00 0.00 O ATOM 401 CB GLN C 33 7.389 8.586 -22.686 1.00 0.00 C ATOM 402 CG GLN C 33 6.869 8.635 -24.125 1.00 0.00 C ATOM 403 CD GLN C 33 7.208 9.992 -24.753 1.00 0.00 C ATOM 404 OE1 GLN C 33 7.372 11.038 -23.985 1.00 0.00 O flip ATOM 405 NE2 GLN C 33 7.322 10.104 -25.957 1.00 0.00 N flip ATOM 0 H GLN C 33 6.041 8.334 -20.365 1.00 0.00 H new ATOM 0 HA GLN C 33 6.552 6.600 -22.765 1.00 0.00 H new ATOM 0 HB2 GLN C 33 7.019 9.445 -22.127 1.00 0.00 H new ATOM 0 HB3 GLN C 33 8.477 8.647 -22.681 1.00 0.00 H new ATOM 0 HG2 GLN C 33 7.315 7.831 -24.710 1.00 0.00 H new ATOM 0 HG3 GLN C 33 5.791 8.477 -24.137 1.00 0.00 H new ATOM 0 HE21 GLN C 33 7.195 9.291 -26.559 1.00 0.00 H new ATOM 0 HE22 GLN C 33 7.545 11.011 -26.366 1.00 0.00 H new ATOM 414 N ILE C 34 8.110 5.382 -21.085 1.00 0.00 N ATOM 415 CA ILE C 34 9.254 4.729 -20.389 1.00 0.00 C ATOM 416 C ILE C 34 10.569 5.196 -21.013 1.00 0.00 C ATOM 417 O ILE C 34 10.749 5.160 -22.214 1.00 0.00 O ATOM 418 CB ILE C 34 9.138 3.209 -20.521 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.929 2.707 -19.722 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.411 2.553 -19.981 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.882 3.402 -18.358 1.00 0.00 C ATOM 0 H ILE C 34 7.353 4.757 -21.362 1.00 0.00 H new ATOM 0 HA ILE C 34 9.236 5.003 -19.334 1.00 0.00 H new ATOM 0 HB ILE C 34 9.008 2.949 -21.572 1.00 0.00 H new ATOM 0 HG12 ILE C 34 7.010 2.906 -20.273 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.993 1.627 -19.588 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.330 1.470 -20.074 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.271 2.903 -20.552 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.540 2.818 -18.932 1.00 0.00 H new ATOM 0 HD11 ILE C 34 7.021 3.041 -17.795 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.795 3.181 -17.805 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.796 4.479 -18.501 1.00 0.00 H new ATOM 433 N VAL C 35 11.490 5.632 -20.201 1.00 0.00 N ATOM 434 CA VAL C 35 12.798 6.104 -20.733 1.00 0.00 C ATOM 435 C VAL C 35 13.880 5.074 -20.403 1.00 0.00 C ATOM 436 O VAL C 35 14.847 4.919 -21.124 1.00 0.00 O ATOM 437 CB VAL C 35 13.155 7.444 -20.087 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.595 7.818 -20.446 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.204 8.526 -20.600 1.00 0.00 C ATOM 0 H VAL C 35 11.393 5.682 -19.187 1.00 0.00 H new ATOM 0 HA VAL C 35 12.731 6.228 -21.814 1.00 0.00 H new ATOM 0 HB VAL C 35 13.062 7.361 -19.004 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.849 8.773 -19.985 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.273 7.047 -20.080 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.690 7.901 -21.529 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.458 9.481 -20.140 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.297 8.609 -21.683 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.178 8.261 -20.343 1.00 0.00 H new ATOM 449 N ASN C 36 13.725 4.369 -19.316 1.00 0.00 N ATOM 450 CA ASN C 36 14.742 3.349 -18.936 1.00 0.00 C ATOM 451 C ASN C 36 14.057 2.208 -18.180 1.00 0.00 C ATOM 452 O ASN C 36 13.089 2.412 -17.475 1.00 0.00 O ATOM 453 CB ASN C 36 15.799 3.993 -18.038 1.00 0.00 C ATOM 454 CG ASN C 36 17.171 3.891 -18.707 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.501 2.794 -19.331 1.00 0.00 O flip ATOM 456 ND2 ASN C 36 17.952 4.821 -18.661 1.00 0.00 N flip ATOM 0 H ASN C 36 12.937 4.456 -18.674 1.00 0.00 H new ATOM 0 HA ASN C 36 15.219 2.957 -19.834 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.549 5.038 -17.856 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.818 3.496 -17.068 1.00 0.00 H new ATOM 0 HD21 ASN C 36 17.695 5.679 -18.173 1.00 0.00 H new ATOM 0 HD22 ASN C 36 18.865 4.743 -19.110 1.00 0.00 H new ATOM 463 N ASN C 37 14.552 1.010 -18.321 1.00 0.00 N ATOM 464 CA ASN C 37 13.927 -0.141 -17.609 1.00 0.00 C ATOM 465 C ASN C 37 14.988 -1.210 -17.336 1.00 0.00 C ATOM 466 O ASN C 37 16.165 -1.000 -17.555 1.00 0.00 O ATOM 467 CB ASN C 37 12.815 -0.736 -18.476 1.00 0.00 C ATOM 468 CG ASN C 37 13.201 -0.618 -19.952 1.00 0.00 C ATOM 469 OD1 ASN C 37 14.340 -0.835 -20.313 1.00 0.00 O ATOM 470 ND2 ASN C 37 12.293 -0.280 -20.826 1.00 0.00 N ATOM 0 H ASN C 37 15.361 0.778 -18.897 1.00 0.00 H new ATOM 0 HA ASN C 37 13.506 0.203 -16.664 1.00 0.00 H new ATOM 0 HB2 ASN C 37 12.655 -1.782 -18.213 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.876 -0.213 -18.292 1.00 0.00 H new ATOM 0 HD21 ASN C 37 12.540 -0.198 -21.812 1.00 0.00 H new ATOM 0 HD22 ASN C 37 11.336 -0.098 -20.523 1.00 0.00 H new ATOM 477 N THR C 38 14.581 -2.356 -16.860 1.00 0.00 N ATOM 478 CA THR C 38 15.565 -3.439 -16.572 1.00 0.00 C ATOM 479 C THR C 38 16.766 -2.851 -15.820 1.00 0.00 C ATOM 480 O THR C 38 17.852 -3.395 -15.830 1.00 0.00 O ATOM 481 CB THR C 38 16.028 -4.099 -17.890 1.00 0.00 C ATOM 482 OG1 THR C 38 17.447 -4.116 -17.950 1.00 0.00 O ATOM 483 CG2 THR C 38 15.483 -3.329 -19.098 1.00 0.00 C ATOM 0 H THR C 38 13.609 -2.589 -16.658 1.00 0.00 H new ATOM 0 HA THR C 38 15.093 -4.201 -15.951 1.00 0.00 H new ATOM 0 HB THR C 38 15.646 -5.119 -17.915 1.00 0.00 H new ATOM 0 HG1 THR C 38 17.807 -4.439 -17.097 1.00 0.00 H new ATOM 0 HG21 THR C 38 15.820 -3.809 -20.017 1.00 0.00 H new ATOM 0 HG22 THR C 38 14.393 -3.328 -19.067 1.00 0.00 H new ATOM 0 HG23 THR C 38 15.848 -2.302 -19.070 1.00 0.00 H new ATOM 491 N GLU C 39 16.573 -1.750 -15.144 1.00 0.00 N ATOM 492 CA GLU C 39 17.701 -1.130 -14.393 1.00 0.00 C ATOM 493 C GLU C 39 17.452 -1.267 -12.891 1.00 0.00 C ATOM 494 O GLU C 39 18.334 -1.619 -12.133 1.00 0.00 O ATOM 495 CB GLU C 39 17.803 0.353 -14.758 1.00 0.00 C ATOM 496 CG GLU C 39 19.146 0.620 -15.438 1.00 0.00 C ATOM 497 CD GLU C 39 19.209 2.082 -15.885 1.00 0.00 C ATOM 498 OE1 GLU C 39 18.593 2.400 -16.889 1.00 0.00 O ATOM 499 OE2 GLU C 39 19.872 2.858 -15.217 1.00 0.00 O ATOM 0 H GLU C 39 15.684 -1.254 -15.080 1.00 0.00 H new ATOM 0 HA GLU C 39 18.631 -1.635 -14.655 1.00 0.00 H new ATOM 0 HB2 GLU C 39 16.985 0.632 -15.422 1.00 0.00 H new ATOM 0 HB3 GLU C 39 17.709 0.966 -13.862 1.00 0.00 H new ATOM 0 HG2 GLU C 39 19.963 0.403 -14.750 1.00 0.00 H new ATOM 0 HG3 GLU C 39 19.268 -0.040 -16.297 1.00 0.00 H new ATOM 506 N GLY C 40 16.255 -0.993 -12.457 1.00 0.00 N ATOM 507 CA GLY C 40 15.943 -1.107 -11.004 1.00 0.00 C ATOM 508 C GLY C 40 14.436 -1.304 -10.820 1.00 0.00 C ATOM 509 O GLY C 40 13.837 -2.172 -11.424 1.00 0.00 O ATOM 0 H GLY C 40 15.477 -0.694 -13.045 1.00 0.00 H new ATOM 0 HA2 GLY C 40 16.486 -1.946 -10.569 1.00 0.00 H new ATOM 0 HA3 GLY C 40 16.270 -0.209 -10.479 1.00 0.00 H new ATOM 513 N ASP C 41 13.820 -0.507 -9.991 1.00 0.00 N ATOM 514 CA ASP C 41 12.354 -0.651 -9.770 1.00 0.00 C ATOM 515 C ASP C 41 11.648 0.656 -10.137 1.00 0.00 C ATOM 516 O ASP C 41 10.453 0.688 -10.352 1.00 0.00 O ATOM 517 CB ASP C 41 12.090 -0.977 -8.298 1.00 0.00 C ATOM 518 CG ASP C 41 12.542 -2.409 -8.003 1.00 0.00 C ATOM 519 OD1 ASP C 41 12.550 -3.209 -8.924 1.00 0.00 O ATOM 520 OD2 ASP C 41 12.874 -2.681 -6.860 1.00 0.00 O ATOM 0 H ASP C 41 14.269 0.238 -9.457 1.00 0.00 H new ATOM 0 HA ASP C 41 11.971 -1.457 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP C 41 12.626 -0.276 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP C 41 11.029 -0.866 -8.075 1.00 0.00 H new ATOM 525 N TRP C 42 12.378 1.737 -10.212 1.00 0.00 N ATOM 526 CA TRP C 42 11.747 3.040 -10.566 1.00 0.00 C ATOM 527 C TRP C 42 12.285 3.518 -11.917 1.00 0.00 C ATOM 528 O TRP C 42 13.479 3.579 -12.131 1.00 0.00 O ATOM 529 CB TRP C 42 12.083 4.076 -9.491 1.00 0.00 C ATOM 530 CG TRP C 42 11.311 3.752 -8.211 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.797 3.047 -7.175 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.060 4.129 -7.959 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.783 3.027 -6.307 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.663 3.677 -6.714 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.188 4.860 -8.738 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.393 3.958 -6.253 1.00 0.00 C ATOM 537 CZ3 TRP C 42 7.919 5.141 -8.275 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.522 4.689 -7.032 1.00 0.00 C ATOM 0 H TRP C 42 13.383 1.773 -10.043 1.00 0.00 H new ATOM 0 HA TRP C 42 10.666 2.915 -10.628 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.155 4.075 -9.292 1.00 0.00 H new ATOM 0 HB3 TRP C 42 11.825 5.076 -9.841 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.776 2.602 -7.070 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.845 2.557 -5.404 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.498 5.213 -9.711 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 8.081 3.605 -5.281 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.236 5.714 -8.885 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.528 4.908 -6.670 1.00 0.00 H new ATOM 549 N TRP C 43 11.415 3.861 -12.828 1.00 0.00 N ATOM 550 CA TRP C 43 11.886 4.334 -14.160 1.00 0.00 C ATOM 551 C TRP C 43 11.337 5.734 -14.440 1.00 0.00 C ATOM 552 O TRP C 43 10.329 6.145 -13.893 1.00 0.00 O ATOM 553 CB TRP C 43 11.403 3.376 -15.249 1.00 0.00 C ATOM 554 CG TRP C 43 11.677 1.932 -14.822 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.725 1.534 -14.080 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.923 0.882 -15.143 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.556 0.215 -13.978 1.00 0.00 N ATOM 558 CE2 TRP C 43 11.459 -0.275 -14.611 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.761 0.822 -15.887 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.836 -1.488 -14.823 1.00 0.00 C ATOM 561 CZ3 TRP C 43 9.138 -0.392 -16.099 1.00 0.00 C ATOM 562 CH2 TRP C 43 9.675 -1.546 -15.567 1.00 0.00 C ATOM 0 H TRP C 43 10.402 3.834 -12.708 1.00 0.00 H new ATOM 0 HA TRP C 43 12.976 4.366 -14.158 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.337 3.518 -15.425 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.912 3.591 -16.188 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.517 2.140 -13.665 1.00 0.00 H new ATOM 0 HE1 TRP C 43 13.203 -0.382 -13.463 1.00 0.00 H new ATOM 0 HE3 TRP C 43 9.339 1.725 -16.303 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 11.257 -2.391 -14.407 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 8.230 -0.438 -16.682 1.00 0.00 H new ATOM 0 HH2 TRP C 43 9.187 -2.495 -15.733 1.00 0.00 H new ATOM 573 N LEU C 44 11.990 6.462 -15.304 1.00 0.00 N ATOM 574 CA LEU C 44 11.526 7.838 -15.638 1.00 0.00 C ATOM 575 C LEU C 44 10.739 7.793 -16.946 1.00 0.00 C ATOM 576 O LEU C 44 11.201 7.268 -17.938 1.00 0.00 O ATOM 577 CB LEU C 44 12.742 8.757 -15.807 1.00 0.00 C ATOM 578 CG LEU C 44 12.278 10.206 -15.991 1.00 0.00 C ATOM 579 CD1 LEU C 44 13.475 11.147 -15.829 1.00 0.00 C ATOM 580 CD2 LEU C 44 11.683 10.383 -17.390 1.00 0.00 C ATOM 0 H LEU C 44 12.831 6.160 -15.796 1.00 0.00 H new ATOM 0 HA LEU C 44 10.891 8.219 -14.838 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.390 8.681 -14.934 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.330 8.442 -16.669 1.00 0.00 H new ATOM 0 HG LEU C 44 11.521 10.440 -15.242 1.00 0.00 H new ATOM 0 HD11 LEU C 44 13.147 12.178 -15.960 1.00 0.00 H new ATOM 0 HD12 LEU C 44 13.902 11.025 -14.833 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.229 10.908 -16.579 1.00 0.00 H new ATOM 0 HD21 LEU C 44 11.354 11.414 -17.518 1.00 0.00 H new ATOM 0 HD22 LEU C 44 12.439 10.148 -18.139 1.00 0.00 H new ATOM 0 HD23 LEU C 44 10.832 9.713 -17.511 1.00 0.00 H new ATOM 592 N ALA C 45 9.558 8.341 -16.964 1.00 0.00 N ATOM 593 CA ALA C 45 8.758 8.319 -18.217 1.00 0.00 C ATOM 594 C ALA C 45 8.155 9.703 -18.478 1.00 0.00 C ATOM 595 O ALA C 45 7.829 10.431 -17.559 1.00 0.00 O ATOM 596 CB ALA C 45 7.633 7.290 -18.083 1.00 0.00 C ATOM 0 H ALA C 45 9.114 8.801 -16.169 1.00 0.00 H new ATOM 0 HA ALA C 45 9.406 8.049 -19.051 1.00 0.00 H new ATOM 0 HB1 ALA C 45 7.045 7.272 -19.001 1.00 0.00 H new ATOM 0 HB2 ALA C 45 8.061 6.303 -17.907 1.00 0.00 H new ATOM 0 HB3 ALA C 45 6.990 7.561 -17.245 1.00 0.00 H new ATOM 602 N HIS C 46 8.013 10.074 -19.725 1.00 0.00 N ATOM 603 CA HIS C 46 7.429 11.409 -20.041 1.00 0.00 C ATOM 604 C HIS C 46 6.216 11.245 -20.965 1.00 0.00 C ATOM 605 O HIS C 46 5.539 10.238 -20.948 1.00 0.00 O ATOM 606 CB HIS C 46 8.464 12.305 -20.713 1.00 0.00 C ATOM 607 CG HIS C 46 8.191 13.734 -20.247 1.00 0.00 C ATOM 608 ND1 HIS C 46 9.065 14.603 -19.965 1.00 0.00 N ATOM 609 CD2 HIS C 46 6.980 14.352 -19.993 1.00 0.00 C ATOM 610 CE1 HIS C 46 8.504 15.682 -19.562 1.00 0.00 C ATOM 611 NE2 HIS C 46 7.190 15.593 -19.557 1.00 0.00 N ATOM 0 H HIS C 46 8.276 9.511 -20.534 1.00 0.00 H new ATOM 0 HA HIS C 46 7.115 11.875 -19.107 1.00 0.00 H new ATOM 0 HB2 HIS C 46 9.474 11.998 -20.442 1.00 0.00 H new ATOM 0 HB3 HIS C 46 8.390 12.233 -21.798 1.00 0.00 H new ATOM 0 HD1 HIS C 46 10.072 14.465 -20.047 1.00 0.00 H new ATOM 0 HD2 HIS C 46 6.010 13.897 -20.128 1.00 0.00 H new ATOM 0 HE1 HIS C 46 9.047 16.565 -19.260 1.00 0.00 H new ATOM 619 N SER C 47 5.931 12.242 -21.753 1.00 0.00 N ATOM 620 CA SER C 47 4.767 12.176 -22.693 1.00 0.00 C ATOM 621 C SER C 47 3.457 12.391 -21.931 1.00 0.00 C ATOM 622 O SER C 47 2.381 12.176 -22.454 1.00 0.00 O ATOM 623 CB SER C 47 4.734 10.810 -23.378 1.00 0.00 C ATOM 624 OG SER C 47 4.834 10.981 -24.784 1.00 0.00 O ATOM 0 H SER C 47 6.459 13.114 -21.790 1.00 0.00 H new ATOM 0 HA SER C 47 4.878 12.960 -23.442 1.00 0.00 H new ATOM 0 HB2 SER C 47 5.555 10.191 -23.017 1.00 0.00 H new ATOM 0 HB3 SER C 47 3.809 10.289 -23.129 1.00 0.00 H new ATOM 0 HG SER C 47 4.655 10.127 -25.231 1.00 0.00 H new ATOM 630 N LEU C 48 3.536 12.815 -20.704 1.00 0.00 N ATOM 631 CA LEU C 48 2.303 13.044 -19.907 1.00 0.00 C ATOM 632 C LEU C 48 1.676 14.393 -20.266 1.00 0.00 C ATOM 633 O LEU C 48 0.623 14.456 -20.868 1.00 0.00 O ATOM 634 CB LEU C 48 2.677 13.012 -18.431 1.00 0.00 C ATOM 635 CG LEU C 48 3.522 11.760 -18.141 1.00 0.00 C ATOM 636 CD1 LEU C 48 3.214 10.633 -19.139 1.00 0.00 C ATOM 637 CD2 LEU C 48 5.010 12.109 -18.199 1.00 0.00 C ATOM 0 H LEU C 48 4.409 13.014 -20.215 1.00 0.00 H new ATOM 0 HA LEU C 48 1.571 12.267 -20.125 1.00 0.00 H new ATOM 0 HB2 LEU C 48 3.236 13.910 -18.167 1.00 0.00 H new ATOM 0 HB3 LEU C 48 1.776 13.006 -17.817 1.00 0.00 H new ATOM 0 HG LEU C 48 3.267 11.408 -17.141 1.00 0.00 H new ATOM 0 HD11 LEU C 48 3.828 9.763 -18.906 1.00 0.00 H new ATOM 0 HD12 LEU C 48 2.160 10.363 -19.069 1.00 0.00 H new ATOM 0 HD13 LEU C 48 3.435 10.973 -20.151 1.00 0.00 H new ATOM 0 HD21 LEU C 48 5.601 11.217 -17.992 1.00 0.00 H new ATOM 0 HD22 LEU C 48 5.257 12.486 -19.191 1.00 0.00 H new ATOM 0 HD23 LEU C 48 5.234 12.873 -17.454 1.00 0.00 H new ATOM 649 N THR C 49 2.309 15.474 -19.902 1.00 0.00 N ATOM 650 CA THR C 49 1.741 16.814 -20.226 1.00 0.00 C ATOM 651 C THR C 49 2.744 17.605 -21.065 1.00 0.00 C ATOM 652 O THR C 49 3.599 17.043 -21.720 1.00 0.00 O ATOM 653 CB THR C 49 1.452 17.571 -18.928 1.00 0.00 C ATOM 654 OG1 THR C 49 1.480 16.661 -17.836 1.00 0.00 O ATOM 655 CG2 THR C 49 0.073 18.226 -19.014 1.00 0.00 C ATOM 0 H THR C 49 3.194 15.488 -19.395 1.00 0.00 H new ATOM 0 HA THR C 49 0.816 16.690 -20.789 1.00 0.00 H new ATOM 0 HB THR C 49 2.208 18.342 -18.779 1.00 0.00 H new ATOM 0 HG1 THR C 49 0.760 16.881 -17.208 1.00 0.00 H new ATOM 0 HG21 THR C 49 -0.132 18.765 -18.089 1.00 0.00 H new ATOM 0 HG22 THR C 49 0.053 18.923 -19.852 1.00 0.00 H new ATOM 0 HG23 THR C 49 -0.686 17.458 -19.162 1.00 0.00 H new ATOM 663 N THR C 50 2.646 18.907 -21.055 1.00 0.00 N ATOM 664 CA THR C 50 3.596 19.731 -21.853 1.00 0.00 C ATOM 665 C THR C 50 5.013 19.186 -21.666 1.00 0.00 C ATOM 666 O THR C 50 5.680 18.821 -22.614 1.00 0.00 O ATOM 667 CB THR C 50 3.539 21.188 -21.381 1.00 0.00 C ATOM 668 OG1 THR C 50 2.365 21.388 -20.605 1.00 0.00 O ATOM 669 CG2 THR C 50 3.516 22.119 -22.593 1.00 0.00 C ATOM 0 H THR C 50 1.949 19.434 -20.529 1.00 0.00 H new ATOM 0 HA THR C 50 3.322 19.686 -22.907 1.00 0.00 H new ATOM 0 HB THR C 50 4.418 21.408 -20.774 1.00 0.00 H new ATOM 0 HG1 THR C 50 2.328 22.319 -20.301 1.00 0.00 H new ATOM 0 HG21 THR C 50 3.475 23.155 -22.256 1.00 0.00 H new ATOM 0 HG22 THR C 50 4.417 21.966 -23.187 1.00 0.00 H new ATOM 0 HG23 THR C 50 2.639 21.901 -23.202 1.00 0.00 H new ATOM 677 N GLY C 51 5.478 19.127 -20.447 1.00 0.00 N ATOM 678 CA GLY C 51 6.850 18.604 -20.196 1.00 0.00 C ATOM 679 C GLY C 51 6.951 18.123 -18.749 1.00 0.00 C ATOM 680 O GLY C 51 7.883 18.451 -18.040 1.00 0.00 O ATOM 0 H GLY C 51 4.966 19.419 -19.614 1.00 0.00 H new ATOM 0 HA2 GLY C 51 7.070 17.784 -20.880 1.00 0.00 H new ATOM 0 HA3 GLY C 51 7.589 19.383 -20.385 1.00 0.00 H new ATOM 684 N GLN C 52 6.001 17.349 -18.303 1.00 0.00 N ATOM 685 CA GLN C 52 6.050 16.850 -16.904 1.00 0.00 C ATOM 686 C GLN C 52 6.599 15.424 -16.903 1.00 0.00 C ATOM 687 O GLN C 52 6.101 14.557 -17.590 1.00 0.00 O ATOM 688 CB GLN C 52 4.644 16.853 -16.302 1.00 0.00 C ATOM 689 CG GLN C 52 4.528 17.990 -15.284 1.00 0.00 C ATOM 690 CD GLN C 52 3.718 19.138 -15.890 1.00 0.00 C ATOM 691 OE1 GLN C 52 4.243 20.209 -16.125 1.00 0.00 O ATOM 692 NE2 GLN C 52 2.453 18.961 -16.153 1.00 0.00 N ATOM 0 H GLN C 52 5.195 17.042 -18.847 1.00 0.00 H new ATOM 0 HA GLN C 52 6.695 17.497 -16.309 1.00 0.00 H new ATOM 0 HB2 GLN C 52 3.900 16.978 -17.089 1.00 0.00 H new ATOM 0 HB3 GLN C 52 4.441 15.897 -15.820 1.00 0.00 H new ATOM 0 HG2 GLN C 52 4.045 17.631 -14.375 1.00 0.00 H new ATOM 0 HG3 GLN C 52 5.520 18.341 -15.001 1.00 0.00 H new ATOM 0 HE21 GLN C 52 2.012 18.063 -15.956 1.00 0.00 H new ATOM 0 HE22 GLN C 52 1.905 19.721 -16.556 1.00 0.00 H new ATOM 701 N THR C 53 7.620 15.174 -16.134 1.00 0.00 N ATOM 702 CA THR C 53 8.202 13.803 -16.089 1.00 0.00 C ATOM 703 C THR C 53 7.336 12.917 -15.197 1.00 0.00 C ATOM 704 O THR C 53 6.323 13.343 -14.682 1.00 0.00 O ATOM 705 CB THR C 53 9.622 13.879 -15.517 1.00 0.00 C ATOM 706 OG1 THR C 53 10.296 14.997 -16.077 1.00 0.00 O ATOM 707 CG2 THR C 53 10.390 12.600 -15.856 1.00 0.00 C ATOM 0 H THR C 53 8.078 15.860 -15.534 1.00 0.00 H new ATOM 0 HA THR C 53 8.236 13.381 -17.094 1.00 0.00 H new ATOM 0 HB THR C 53 9.567 13.987 -14.434 1.00 0.00 H new ATOM 0 HG1 THR C 53 11.204 15.049 -15.711 1.00 0.00 H new ATOM 0 HG21 THR C 53 11.398 12.662 -15.446 1.00 0.00 H new ATOM 0 HG22 THR C 53 9.875 11.741 -15.425 1.00 0.00 H new ATOM 0 HG23 THR C 53 10.445 12.485 -16.938 1.00 0.00 H new ATOM 715 N GLY C 54 7.697 11.679 -15.027 1.00 0.00 N ATOM 716 CA GLY C 54 6.873 10.798 -14.163 1.00 0.00 C ATOM 717 C GLY C 54 7.651 9.537 -13.802 1.00 0.00 C ATOM 718 O GLY C 54 7.644 8.566 -14.529 1.00 0.00 O ATOM 0 H GLY C 54 8.519 11.243 -15.445 1.00 0.00 H new ATOM 0 HA2 GLY C 54 6.588 11.330 -13.256 1.00 0.00 H new ATOM 0 HA3 GLY C 54 5.951 10.530 -14.679 1.00 0.00 H new ATOM 722 N TYR C 55 8.345 9.543 -12.697 1.00 0.00 N ATOM 723 CA TYR C 55 9.112 8.333 -12.309 1.00 0.00 C ATOM 724 C TYR C 55 8.088 7.259 -11.955 1.00 0.00 C ATOM 725 O TYR C 55 7.685 7.122 -10.818 1.00 0.00 O ATOM 726 CB TYR C 55 9.979 8.647 -11.088 1.00 0.00 C ATOM 727 CG TYR C 55 11.239 9.401 -11.522 1.00 0.00 C ATOM 728 CD1 TYR C 55 11.218 10.235 -12.620 1.00 0.00 C ATOM 729 CD2 TYR C 55 12.413 9.267 -10.806 1.00 0.00 C ATOM 730 CE1 TYR C 55 12.350 10.928 -12.996 1.00 0.00 C ATOM 731 CE2 TYR C 55 13.545 9.961 -11.182 1.00 0.00 C ATOM 732 CZ TYR C 55 13.523 10.796 -12.280 1.00 0.00 C ATOM 733 OH TYR C 55 14.655 11.489 -12.656 1.00 0.00 O ATOM 0 H TYR C 55 8.412 10.330 -12.052 1.00 0.00 H new ATOM 0 HA TYR C 55 9.765 8.001 -13.116 1.00 0.00 H new ATOM 0 HB2 TYR C 55 9.414 9.247 -10.375 1.00 0.00 H new ATOM 0 HB3 TYR C 55 10.255 7.723 -10.580 1.00 0.00 H new ATOM 0 HD1 TYR C 55 10.308 10.347 -13.190 1.00 0.00 H new ATOM 0 HD2 TYR C 55 12.445 8.615 -9.946 1.00 0.00 H new ATOM 0 HE1 TYR C 55 12.318 11.579 -13.857 1.00 0.00 H new ATOM 0 HE2 TYR C 55 14.456 9.850 -10.612 1.00 0.00 H new ATOM 0 HH TYR C 55 15.387 11.278 -12.040 1.00 0.00 H new ATOM 743 N ILE C 56 7.661 6.493 -12.920 1.00 0.00 N ATOM 744 CA ILE C 56 6.654 5.435 -12.625 1.00 0.00 C ATOM 745 C ILE C 56 7.316 4.181 -12.046 1.00 0.00 C ATOM 746 O ILE C 56 8.318 3.719 -12.556 1.00 0.00 O ATOM 747 CB ILE C 56 5.887 5.060 -13.904 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.723 4.111 -14.772 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.566 6.324 -14.701 1.00 0.00 C ATOM 750 CD1 ILE C 56 7.932 4.857 -15.334 1.00 0.00 C ATOM 0 H ILE C 56 7.962 6.552 -13.893 1.00 0.00 H new ATOM 0 HA ILE C 56 5.962 5.836 -11.884 1.00 0.00 H new ATOM 0 HB ILE C 56 4.962 4.558 -13.620 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.053 3.257 -14.180 1.00 0.00 H new ATOM 0 HG13 ILE C 56 6.115 3.718 -15.587 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.023 6.055 -15.607 1.00 0.00 H new ATOM 0 HG22 ILE C 56 4.953 6.991 -14.095 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.493 6.829 -14.971 1.00 0.00 H new ATOM 0 HD11 ILE C 56 8.523 4.180 -15.950 1.00 0.00 H new ATOM 0 HD12 ILE C 56 7.592 5.696 -15.941 1.00 0.00 H new ATOM 0 HD13 ILE C 56 8.545 5.228 -14.512 1.00 0.00 H new ATOM 762 N PRO C 57 6.730 3.668 -10.988 1.00 0.00 N ATOM 763 CA PRO C 57 7.243 2.463 -10.321 1.00 0.00 C ATOM 764 C PRO C 57 7.122 1.276 -11.281 1.00 0.00 C ATOM 765 O PRO C 57 6.767 1.434 -12.431 1.00 0.00 O ATOM 766 CB PRO C 57 6.336 2.268 -9.098 1.00 0.00 C ATOM 767 CG PRO C 57 5.247 3.373 -9.141 1.00 0.00 C ATOM 768 CD PRO C 57 5.535 4.265 -10.360 1.00 0.00 C ATOM 0 HA PRO C 57 8.290 2.548 -10.029 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.879 1.279 -9.114 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.915 2.336 -8.177 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.254 2.929 -9.218 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.263 3.962 -8.224 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.691 4.278 -11.049 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.719 5.297 -10.061 1.00 0.00 H new ATOM 776 N SER C 58 7.411 0.091 -10.826 1.00 0.00 N ATOM 777 CA SER C 58 7.307 -1.090 -11.728 1.00 0.00 C ATOM 778 C SER C 58 5.907 -1.713 -11.634 1.00 0.00 C ATOM 779 O SER C 58 5.253 -1.950 -12.631 1.00 0.00 O ATOM 780 CB SER C 58 8.364 -2.124 -11.323 1.00 0.00 C ATOM 781 OG SER C 58 7.729 -3.301 -10.841 1.00 0.00 O ATOM 0 H SER C 58 7.714 -0.112 -9.873 1.00 0.00 H new ATOM 0 HA SER C 58 7.476 -0.772 -12.757 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.996 -2.365 -12.178 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.014 -1.710 -10.553 1.00 0.00 H new ATOM 0 HG SER C 58 8.409 -3.958 -10.585 1.00 0.00 H new ATOM 787 N ASN C 59 5.436 -1.962 -10.440 1.00 0.00 N ATOM 788 CA ASN C 59 4.082 -2.573 -10.274 1.00 0.00 C ATOM 789 C ASN C 59 2.962 -1.575 -10.597 1.00 0.00 C ATOM 790 O ASN C 59 1.801 -1.860 -10.379 1.00 0.00 O ATOM 791 CB ASN C 59 3.926 -3.049 -8.828 1.00 0.00 C ATOM 792 CG ASN C 59 4.358 -4.513 -8.724 1.00 0.00 C ATOM 793 OD1 ASN C 59 3.487 -5.456 -8.959 1.00 0.00 O flip ATOM 794 ND2 ASN C 59 5.500 -4.801 -8.426 1.00 0.00 N flip ATOM 0 H ASN C 59 5.932 -1.768 -9.570 1.00 0.00 H new ATOM 0 HA ASN C 59 3.999 -3.408 -10.970 1.00 0.00 H new ATOM 0 HB2 ASN C 59 4.531 -2.432 -8.163 1.00 0.00 H new ATOM 0 HB3 ASN C 59 2.890 -2.941 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN C 59 6.181 -4.064 -8.242 1.00 0.00 H new ATOM 0 HD22 ASN C 59 5.778 -5.780 -8.359 1.00 0.00 H new ATOM 801 N TYR C 60 3.274 -0.415 -11.108 1.00 0.00 N ATOM 802 CA TYR C 60 2.185 0.555 -11.424 1.00 0.00 C ATOM 803 C TYR C 60 2.094 0.768 -12.935 1.00 0.00 C ATOM 804 O TYR C 60 1.159 1.373 -13.425 1.00 0.00 O ATOM 805 CB TYR C 60 2.463 1.892 -10.736 1.00 0.00 C ATOM 806 CG TYR C 60 1.938 1.837 -9.301 1.00 0.00 C ATOM 807 CD1 TYR C 60 2.585 1.076 -8.349 1.00 0.00 C ATOM 808 CD2 TYR C 60 0.806 2.539 -8.939 1.00 0.00 C ATOM 809 CE1 TYR C 60 2.107 1.015 -7.057 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.329 2.479 -7.646 1.00 0.00 C ATOM 811 CZ TYR C 60 0.975 1.716 -6.695 1.00 0.00 C ATOM 812 OH TYR C 60 0.497 1.655 -5.402 1.00 0.00 O ATOM 0 H TYR C 60 4.221 -0.099 -11.318 1.00 0.00 H new ATOM 0 HA TYR C 60 1.240 0.151 -11.061 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.533 2.100 -10.737 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.981 2.703 -11.282 1.00 0.00 H new ATOM 0 HD1 TYR C 60 3.473 0.524 -8.618 1.00 0.00 H new ATOM 0 HD2 TYR C 60 0.290 3.140 -9.673 1.00 0.00 H new ATOM 0 HE1 TYR C 60 2.623 0.414 -6.323 1.00 0.00 H new ATOM 0 HE2 TYR C 60 -0.557 3.034 -7.376 1.00 0.00 H new ATOM 0 HH TYR C 60 0.470 0.721 -5.107 1.00 0.00 H new ATOM 822 N VAL C 61 3.048 0.271 -13.681 1.00 0.00 N ATOM 823 CA VAL C 61 2.999 0.456 -15.159 1.00 0.00 C ATOM 824 C VAL C 61 3.256 -0.872 -15.864 1.00 0.00 C ATOM 825 O VAL C 61 3.712 -1.830 -15.272 1.00 0.00 O ATOM 826 CB VAL C 61 4.059 1.469 -15.592 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.420 1.063 -15.023 1.00 0.00 C ATOM 828 CG2 VAL C 61 4.143 1.511 -17.117 1.00 0.00 C ATOM 0 H VAL C 61 3.852 -0.251 -13.332 1.00 0.00 H new ATOM 0 HA VAL C 61 2.010 0.823 -15.431 1.00 0.00 H new ATOM 0 HB VAL C 61 3.784 2.455 -15.217 1.00 0.00 H new ATOM 0 HG11 VAL C 61 6.174 1.786 -15.333 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.367 1.038 -13.935 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.690 0.075 -15.396 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.900 2.235 -17.420 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.413 0.524 -17.494 1.00 0.00 H new ATOM 0 HG23 VAL C 61 3.176 1.804 -17.527 1.00 0.00 H new ATOM 838 N ALA C 62 2.964 -0.926 -17.129 1.00 0.00 N ATOM 839 CA ALA C 62 3.184 -2.184 -17.899 1.00 0.00 C ATOM 840 C ALA C 62 3.064 -1.889 -19.398 1.00 0.00 C ATOM 841 O ALA C 62 2.245 -1.088 -19.804 1.00 0.00 O ATOM 842 CB ALA C 62 2.129 -3.217 -17.497 1.00 0.00 C ATOM 0 H ALA C 62 2.580 -0.151 -17.669 1.00 0.00 H new ATOM 0 HA ALA C 62 4.178 -2.576 -17.683 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.288 -4.137 -18.059 1.00 0.00 H new ATOM 0 HB2 ALA C 62 2.211 -3.424 -16.430 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.135 -2.826 -17.715 1.00 0.00 H new ATOM 848 N PRO C 63 3.887 -2.546 -20.179 1.00 0.00 N ATOM 849 CA PRO C 63 3.888 -2.365 -21.642 1.00 0.00 C ATOM 850 C PRO C 63 2.538 -2.784 -22.230 1.00 0.00 C ATOM 851 O PRO C 63 2.126 -3.922 -22.113 1.00 0.00 O ATOM 852 CB PRO C 63 5.006 -3.285 -22.151 1.00 0.00 C ATOM 853 CG PRO C 63 5.625 -4.000 -20.921 1.00 0.00 C ATOM 854 CD PRO C 63 4.879 -3.510 -19.671 1.00 0.00 C ATOM 0 HA PRO C 63 4.049 -1.326 -21.931 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.609 -4.014 -22.858 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.765 -2.708 -22.680 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.534 -5.082 -21.021 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.689 -3.776 -20.844 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.396 -4.336 -19.149 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.561 -3.040 -18.962 1.00 0.00 H new ATOM 862 N SER C 64 1.845 -1.875 -22.860 1.00 0.00 N ATOM 863 CA SER C 64 0.523 -2.224 -23.453 1.00 0.00 C ATOM 864 C SER C 64 0.019 -1.054 -24.300 1.00 0.00 C ATOM 865 O SER C 64 -1.037 -0.531 -23.985 1.00 0.00 O ATOM 866 CB SER C 64 -0.480 -2.511 -22.334 1.00 0.00 C ATOM 867 OG SER C 64 -0.811 -1.299 -21.672 1.00 0.00 O ATOM 868 OXT SER C 64 0.697 -0.700 -25.251 1.00 0.00 O ATOM 0 H SER C 64 2.137 -0.906 -22.990 1.00 0.00 H new ATOM 0 HA SER C 64 0.630 -3.109 -24.081 1.00 0.00 H new ATOM 0 HB2 SER C 64 -1.379 -2.970 -22.746 1.00 0.00 H new ATOM 0 HB3 SER C 64 -0.056 -3.221 -21.624 1.00 0.00 H new ATOM 0 HG SER C 64 -1.396 -0.762 -22.246 1.00 0.00 H new TER 874 SER C 64 ATOM 875 N ARG R 71 13.466 3.032 -0.363 1.00 0.00 N ATOM 876 CA ARG R 71 12.360 3.519 -1.236 1.00 0.00 C ATOM 877 C ARG R 71 11.153 2.589 -1.095 1.00 0.00 C ATOM 878 O ARG R 71 10.040 3.029 -0.885 1.00 0.00 O ATOM 879 CB ARG R 71 12.830 3.532 -2.692 1.00 0.00 C ATOM 880 CG ARG R 71 11.821 4.299 -3.548 1.00 0.00 C ATOM 881 CD ARG R 71 12.207 5.779 -3.587 1.00 0.00 C ATOM 882 NE ARG R 71 12.257 6.241 -5.003 1.00 0.00 N ATOM 883 CZ ARG R 71 12.240 7.519 -5.278 1.00 0.00 C ATOM 884 NH1 ARG R 71 12.180 8.397 -4.314 1.00 0.00 N ATOM 885 NH2 ARG R 71 12.283 7.917 -6.519 1.00 0.00 N ATOM 0 HA ARG R 71 12.076 4.528 -0.937 1.00 0.00 H new ATOM 0 HB2 ARG R 71 13.812 3.999 -2.764 1.00 0.00 H new ATOM 0 HB3 ARG R 71 12.934 2.512 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG R 71 11.800 3.891 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG R 71 10.818 4.184 -3.137 1.00 0.00 H new ATOM 0 HD2 ARG R 71 11.483 6.370 -3.026 1.00 0.00 H new ATOM 0 HD3 ARG R 71 13.176 5.926 -3.111 1.00 0.00 H new ATOM 0 HE ARG R 71 12.305 5.558 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG R 71 12.146 8.087 -3.343 1.00 0.00 H new ATOM 0 HH12 ARG R 71 12.167 9.393 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG R 71 12.330 7.232 -7.273 1.00 0.00 H new ATOM 0 HH22 ARG R 71 12.270 8.914 -6.736 1.00 0.00 H new ATOM 901 N ALA R 72 11.364 1.306 -1.207 1.00 0.00 N ATOM 902 CA ALA R 72 10.227 0.352 -1.078 1.00 0.00 C ATOM 903 C ALA R 72 9.208 0.614 -2.189 1.00 0.00 C ATOM 904 O ALA R 72 8.751 1.724 -2.375 1.00 0.00 O ATOM 905 CB ALA R 72 9.555 0.541 0.284 1.00 0.00 C ATOM 0 H ALA R 72 12.273 0.878 -1.382 1.00 0.00 H new ATOM 0 HA ALA R 72 10.600 -0.669 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.723 -0.157 0.379 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.279 0.352 1.076 1.00 0.00 H new ATOM 0 HB3 ALA R 72 9.183 1.562 0.368 1.00 0.00 H new ATOM 911 N LEU R 73 8.849 -0.399 -2.928 1.00 0.00 N ATOM 912 CA LEU R 73 7.860 -0.208 -4.026 1.00 0.00 C ATOM 913 C LEU R 73 6.475 0.049 -3.422 1.00 0.00 C ATOM 914 O LEU R 73 6.150 -0.484 -2.379 1.00 0.00 O ATOM 915 CB LEU R 73 7.811 -1.467 -4.894 1.00 0.00 C ATOM 916 CG LEU R 73 9.012 -1.480 -5.841 1.00 0.00 C ATOM 917 CD1 LEU R 73 8.897 -2.670 -6.796 1.00 0.00 C ATOM 918 CD2 LEU R 73 9.039 -0.179 -6.648 1.00 0.00 C ATOM 0 H LEU R 73 9.198 -1.351 -2.819 1.00 0.00 H new ATOM 0 HA LEU R 73 8.156 0.644 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.821 -2.357 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.883 -1.492 -5.466 1.00 0.00 H new ATOM 0 HG LEU R 73 9.931 -1.568 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU R 73 9.753 -2.679 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU R 73 8.878 -3.596 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU R 73 7.978 -2.583 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.895 -0.187 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU R 73 8.120 -0.091 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU R 73 9.121 0.669 -5.968 1.00 0.00 H new ATOM 930 N PRO R 74 5.699 0.860 -4.096 1.00 0.00 N ATOM 931 CA PRO R 74 4.340 1.203 -3.642 1.00 0.00 C ATOM 932 C PRO R 74 3.441 -0.042 -3.691 1.00 0.00 C ATOM 933 O PRO R 74 3.388 -0.720 -4.697 1.00 0.00 O ATOM 934 CB PRO R 74 3.850 2.257 -4.637 1.00 0.00 C ATOM 935 CG PRO R 74 4.928 2.397 -5.745 1.00 0.00 C ATOM 936 CD PRO R 74 6.114 1.502 -5.356 1.00 0.00 C ATOM 0 HA PRO R 74 4.322 1.570 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.894 1.960 -5.069 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.691 3.212 -4.136 1.00 0.00 H new ATOM 0 HG2 PRO R 74 4.524 2.098 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO R 74 5.247 3.435 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO R 74 6.322 0.761 -6.128 1.00 0.00 H new ATOM 0 HD3 PRO R 74 7.024 2.086 -5.222 1.00 0.00 H new ATOM 944 N PRO R 75 2.757 -0.306 -2.603 1.00 0.00 N ATOM 945 CA PRO R 75 1.854 -1.468 -2.511 1.00 0.00 C ATOM 946 C PRO R 75 0.738 -1.357 -3.554 1.00 0.00 C ATOM 947 O PRO R 75 0.057 -0.355 -3.643 1.00 0.00 O ATOM 948 CB PRO R 75 1.275 -1.408 -1.091 1.00 0.00 C ATOM 949 CG PRO R 75 1.881 -0.166 -0.389 1.00 0.00 C ATOM 950 CD PRO R 75 2.825 0.524 -1.386 1.00 0.00 C ATOM 0 HA PRO R 75 2.370 -2.409 -2.701 1.00 0.00 H new ATOM 0 HB2 PRO R 75 0.188 -1.337 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO R 75 1.519 -2.316 -0.540 1.00 0.00 H new ATOM 0 HG2 PRO R 75 1.092 0.517 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO R 75 2.424 -0.462 0.509 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.509 1.548 -1.587 1.00 0.00 H new ATOM 0 HD3 PRO R 75 3.842 0.575 -0.998 1.00 0.00 H new ATOM 958 N LEU R 76 0.546 -2.380 -4.342 1.00 0.00 N ATOM 959 CA LEU R 76 -0.525 -2.332 -5.377 1.00 0.00 C ATOM 960 C LEU R 76 -1.845 -1.907 -4.726 1.00 0.00 C ATOM 961 O LEU R 76 -2.029 -2.073 -3.536 1.00 0.00 O ATOM 962 CB LEU R 76 -0.688 -3.716 -6.008 1.00 0.00 C ATOM 963 CG LEU R 76 0.542 -4.035 -6.862 1.00 0.00 C ATOM 964 CD1 LEU R 76 0.438 -5.468 -7.389 1.00 0.00 C ATOM 965 CD2 LEU R 76 0.609 -3.061 -8.040 1.00 0.00 C ATOM 0 H LEU R 76 1.084 -3.246 -4.314 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.253 -1.612 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU R 76 -0.810 -4.470 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -1.588 -3.744 -6.622 1.00 0.00 H new ATOM 0 HG LEU R 76 1.443 -3.936 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU R 76 1.313 -5.696 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU R 76 0.388 -6.162 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU R 76 -0.462 -5.568 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU R 76 1.484 -3.287 -8.649 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -0.291 -3.161 -8.647 1.00 0.00 H new ATOM 0 HD23 LEU R 76 0.682 -2.040 -7.664 1.00 0.00 H new ATOM 977 N PRO R 77 -2.726 -1.370 -5.530 1.00 0.00 N ATOM 978 CA PRO R 77 -4.045 -0.910 -5.056 1.00 0.00 C ATOM 979 C PRO R 77 -4.841 -2.086 -4.485 1.00 0.00 C ATOM 980 O PRO R 77 -5.127 -3.047 -5.171 1.00 0.00 O ATOM 981 CB PRO R 77 -4.736 -0.344 -6.305 1.00 0.00 C ATOM 982 CG PRO R 77 -3.754 -0.495 -7.496 1.00 0.00 C ATOM 983 CD PRO R 77 -2.482 -1.179 -6.972 1.00 0.00 C ATOM 0 HA PRO R 77 -3.966 -0.168 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO R 77 -5.664 -0.879 -6.504 1.00 0.00 H new ATOM 0 HB3 PRO R 77 -4.998 0.703 -6.156 1.00 0.00 H new ATOM 0 HG2 PRO R 77 -4.206 -1.087 -8.291 1.00 0.00 H new ATOM 0 HG3 PRO R 77 -3.516 0.480 -7.921 1.00 0.00 H new ATOM 0 HD2 PRO R 77 -2.309 -2.131 -7.474 1.00 0.00 H new ATOM 0 HD3 PRO R 77 -1.600 -0.562 -7.146 1.00 0.00 H new ATOM 991 N ARG R 78 -5.201 -2.017 -3.233 1.00 0.00 N ATOM 992 CA ARG R 78 -5.977 -3.131 -2.618 1.00 0.00 C ATOM 993 C ARG R 78 -5.942 -2.997 -1.097 1.00 0.00 C ATOM 994 O ARG R 78 -6.918 -2.629 -0.472 1.00 0.00 O ATOM 995 CB ARG R 78 -5.358 -4.468 -3.029 1.00 0.00 C ATOM 996 CG ARG R 78 -6.269 -5.160 -4.046 1.00 0.00 C ATOM 997 CD ARG R 78 -5.415 -5.954 -5.036 1.00 0.00 C ATOM 998 NE ARG R 78 -6.302 -6.736 -5.944 1.00 0.00 N ATOM 999 CZ ARG R 78 -5.801 -7.353 -6.981 1.00 0.00 C ATOM 1000 NH1 ARG R 78 -4.521 -7.290 -7.227 1.00 0.00 N ATOM 1001 NH2 ARG R 78 -6.585 -8.035 -7.772 1.00 0.00 N ATOM 0 H ARG R 78 -4.992 -1.238 -2.609 1.00 0.00 H new ATOM 0 HA ARG R 78 -7.011 -3.089 -2.961 1.00 0.00 H new ATOM 0 HB2 ARG R 78 -4.370 -4.306 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG R 78 -5.224 -5.103 -2.154 1.00 0.00 H new ATOM 0 HG2 ARG R 78 -6.965 -5.825 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG R 78 -6.868 -4.420 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG R 78 -4.789 -5.277 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG R 78 -4.745 -6.625 -4.498 1.00 0.00 H new ATOM 0 HE ARG R 78 -7.303 -6.789 -5.755 1.00 0.00 H new ATOM 0 HH11 ARG R 78 -3.908 -6.758 -6.609 1.00 0.00 H new ATOM 0 HH12 ARG R 78 -4.133 -7.773 -8.037 1.00 0.00 H new ATOM 0 HH21 ARG R 78 -7.585 -8.085 -7.579 1.00 0.00 H new ATOM 0 HH22 ARG R 78 -6.197 -8.518 -8.582 1.00 0.00 H new ATOM 1015 N TYR R 79 -4.826 -3.294 -0.497 1.00 0.00 N ATOM 1016 CA TYR R 79 -4.722 -3.187 0.985 1.00 0.00 C ATOM 1017 C TYR R 79 -4.264 -1.776 1.364 1.00 0.00 C ATOM 1018 O TYR R 79 -3.301 -1.666 2.104 1.00 0.00 O ATOM 1019 CB TYR R 79 -3.706 -4.208 1.501 1.00 0.00 C ATOM 1020 CG TYR R 79 -3.757 -5.463 0.628 1.00 0.00 C ATOM 1021 CD1 TYR R 79 -4.642 -6.483 0.917 1.00 0.00 C ATOM 1022 CD2 TYR R 79 -2.923 -5.593 -0.463 1.00 0.00 C ATOM 1023 CE1 TYR R 79 -4.691 -7.613 0.128 1.00 0.00 C ATOM 1024 CE2 TYR R 79 -2.972 -6.723 -1.254 1.00 0.00 C ATOM 1025 CZ TYR R 79 -3.856 -7.743 -0.964 1.00 0.00 C ATOM 1026 OH TYR R 79 -3.906 -8.873 -1.753 1.00 0.00 O ATOM 1027 OXT TYR R 79 -4.885 -0.831 0.906 1.00 0.00 O ATOM 0 H TYR R 79 -3.978 -3.607 -0.969 1.00 0.00 H new ATOM 0 HA TYR R 79 -5.696 -3.386 1.432 1.00 0.00 H new ATOM 0 HB2 TYR R 79 -2.704 -3.780 1.484 1.00 0.00 H new ATOM 0 HB3 TYR R 79 -3.926 -4.464 2.538 1.00 0.00 H new ATOM 0 HD1 TYR R 79 -5.301 -6.395 1.768 1.00 0.00 H new ATOM 0 HD2 TYR R 79 -2.225 -4.803 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR R 79 -5.388 -8.403 0.366 1.00 0.00 H new ATOM 0 HE2 TYR R 79 -2.314 -6.810 -2.106 1.00 0.00 H new ATOM 0 HH TYR R 79 -3.251 -8.795 -2.477 1.00 0.00 H new TER 1037 TYR R 79